2-[2-[3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoylamino]benzamide

Systemtic Name: 2-[2-[3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoylamino]benzamide Openeye Name: 2-[[2-[3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-quinazolin-2-yl]sulfanylacetyl]amino]benzamide CAS Name: 2-[[2-[[3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-2-quinazolinyl]thio]-1-oxoethyl]amino]benzamide IUPAC Name: 2-[[2-[3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]benzamide Traditional Name: 2-[[2-[(3-homoveratryl-4-keto-quinazolin-2-yl)thio]acetyl]amino]benzamide Formula: C27H26N4O5S MolecularWeight: 518.58414

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCN2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=CC=CC=C4C(=O)N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCN2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=CC=CC=C4C(=O)N)OC

InChI

InChI=1S/C27H26N4O5S/c1-35-22-12-11-17(15-23(22)36-2)13-14-31-26(34)19-8-4-6-10-21(19)30-27(31)37-16-24(32)29-20-9-5-3-7-18(20)25(28)33/h3-12,15H,13-14,16H2,1-2H3,(H2,28,33)(H,29,32)